(E)-3-(3-nitro-4-pyridin-2-ylsulfanyl-phenyl)prop-2-enoate

Systemtic Name: (E)-3-(3-nitro-4-pyridin-2-ylsulfanyl-phenyl)prop-2-enoate Openeye Name: (E)-3-[3-nitro-4-(2-pyridylsulfanyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-nitro-4-(2-pyridinylthio)phenyl]-2-propenoate IUPAC Name: (E)-3-(3-nitro-4-pyridin-2-ylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[3-nitro-4-(2-pyridylthio)phenyl]acrylate Formula: C14H9N2O4S- MolecularWeight: 301.29726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SC2=C(C=C(C=C2)C=CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)SC2=C(C=C(C=C2)/C=C/C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O4S/c17-14(18)7-5-10-4-6-12(11(9-10)16(19)20)21-13-3-1-2-8-15-13/h1-9H,(H,17,18)/p-1/b7-5+